Compound Detail
CHEMBL1188414
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Basic Information
| ChEMBL ID | CHEMBL1188414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMRKWGCOHKOCMS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.6
MW (Da)
5.13
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.46 | 5.46 | 3450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma intracellular receptor 2 | Ki | = | 12.6 | nM | 7.9 | Binding affinity to sigma-2 receptor (unknown origin) | 29438891 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 3450.0 | nM | 5.46 | Binding affinity to sigma-1 receptor (unknown origin) | 29438891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29438891 | 10.1016/j.ejmech.2017.11.016 | Sigma non-opioid intracellular receptor 1 | 1 |
| 29438891 | 10.1016/j.ejmech.2017.11.016 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine